(4S)-4-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one

Systemtic Name: (4S)-4-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one Openeye Name: (4S)-4-methyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one CAS Name: (4S)-4-methyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4,5-dihydro-1H-pyrimidin-6-one IUPAC Name: (4S)-4-methyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one Traditional Name: (4S)-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-4-methyl-4,5-dihydro-1H-pyrimidin-6-one Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(=N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CC(=O)NC(=N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-8-6-12(18)15-13(14-8)21-7-11(17)9-2-4-10(5-3-9)16(19)20/h2-5,8H,6-7H2,1H3,(H,14,15,18)/t8-/m0/s1